Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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6,991 – 7,005 of 118,615 results

6,991

2-Methyl-1,2'-dinaphthyl Ketone, TCI America™

CAS: 110876-52-3 Molecular Formula: C22H16O Molecular Weight (g/mol): 296.37 MDL Number: MFCD01321179 InChI Key: GCDFSVMEIZNGPZ-UHFFFAOYSA-N Synonym: 2-Methyl-1-naphthyl 2-Naphthyl Ketone PubChem CID: 22624812 IUPAC Name: (2-methylnaphthalen-1-yl)(naphthalen-2-yl)methanone SMILES: CC1=CC=C2C=CC=CC2=C1C(=O)C1=CC=C2C=CC=CC2=C1

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Specifications

PubChem CID	22624812
CAS	110876-52-3
Molecular Weight (g/mol)	296.37
MDL Number	MFCD01321179
SMILES	CC1=CC=C2C=CC=CC2=C1C(=O)C1=CC=C2C=CC=CC2=C1
Synonym	2-Methyl-1-naphthyl 2-Naphthyl Ketone
IUPAC Name	(2-methylnaphthalen-1-yl)(naphthalen-2-yl)methanone
InChI Key	GCDFSVMEIZNGPZ-UHFFFAOYSA-N
Molecular Formula	C22H16O

6,992

4-(4-Hydroxy-3-methoxyphenyl)-2-butanone 98.0+%, TCI America™

CAS: 122-48-5 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00048232 InChI Key: OJYLAHXKWMRDGS-UHFFFAOYSA-N Synonym: zingerone,vanillylacetone,zingiberone,4-4-hydroxy-3-methoxyphenyl butan-2-one,zingherone,4-4-hydroxy-3-methoxyphenyl-2-butanone,gingerone,vanillyl acetone,0-paradol,2-butanone, 4-4-hydroxy-3-methoxyphenyl PubChem CID: 31211 ChEBI: CHEBI:68657 IUPAC Name: 4-(4-hydroxy-3-methoxyphenyl)butan-2-one SMILES: CC(=O)CCC1=CC(=C(C=C1)O)OC

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Specifications

PubChem CID	31211
CAS	122-48-5
Molecular Weight (g/mol)	194.23
ChEBI	CHEBI:68657
MDL Number	MFCD00048232
SMILES	CC(=O)CCC1=CC(=C(C=C1)O)OC
Synonym	zingerone,vanillylacetone,zingiberone,4-4-hydroxy-3-methoxyphenyl butan-2-one,zingherone,4-4-hydroxy-3-methoxyphenyl-2-butanone,gingerone,vanillyl acetone,0-paradol,2-butanone, 4-4-hydroxy-3-methoxyphenyl
IUPAC Name	4-(4-hydroxy-3-methoxyphenyl)butan-2-one
InChI Key	OJYLAHXKWMRDGS-UHFFFAOYSA-N
Molecular Formula	C11H14O3

6,993

2-Bromo-4-methoxyphenylacetic Acid 98.0+%, TCI America™

CAS: 66916-99-2 Molecular Formula: C9H9BrO3 Molecular Weight (g/mol): 245.07 MDL Number: MFCD02664700 InChI Key: XQELSBAAFMYSMG-UHFFFAOYSA-N PubChem CID: 3963668 IUPAC Name: 2-(2-bromo-4-methoxyphenyl)acetic acid SMILES: COC1=CC(Br)=C(CC(O)=O)C=C1

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Specifications

PubChem CID	3963668
CAS	66916-99-2
Molecular Weight (g/mol)	245.07
MDL Number	MFCD02664700
SMILES	COC1=CC(Br)=C(CC(O)=O)C=C1
IUPAC Name	2-(2-bromo-4-methoxyphenyl)acetic acid
InChI Key	XQELSBAAFMYSMG-UHFFFAOYSA-N
Molecular Formula	C9H9BrO3

6,994

4-Allylanisole 98.0+%, TCI America™

CAS: 140-67-0 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00008653 InChI Key: ZFMSMUAANRJZFM-UHFFFAOYSA-N Synonym: estragole,4-allylanisole,p-allylanisole,tarragon,methyl chavicol,1-allyl-4-methoxybenzene,estragol,esdragol,esdragole,esdragon PubChem CID: 8815 ChEBI: CHEBI:4867 IUPAC Name: 1-methoxy-4-prop-2-enylbenzene SMILES: COC1=CC=C(C=C1)CC=C

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Specifications

PubChem CID	8815
CAS	140-67-0
Molecular Weight (g/mol)	148.205
ChEBI	CHEBI:4867
MDL Number	MFCD00008653
SMILES	COC1=CC=C(C=C1)CC=C
Synonym	estragole,4-allylanisole,p-allylanisole,tarragon,methyl chavicol,1-allyl-4-methoxybenzene,estragol,esdragol,esdragole,esdragon
IUPAC Name	1-methoxy-4-prop-2-enylbenzene
InChI Key	ZFMSMUAANRJZFM-UHFFFAOYSA-N
Molecular Formula	C10H12O

6,995

[Hydroxy(tosyloxy)iodo]benzene 97.0+%, TCI America™

CAS: 27126-76-7 Molecular Formula: C13H13IO4S Molecular Weight (g/mol): 392.207 MDL Number: MFCD00011547 InChI Key: LRIUKPUCKCECPT-UHFFFAOYSA-N Synonym: hydroxy tosyloxy iodo benzene,htib,koser's reagent,phenyliodosohydroxy tosylate,koser reagent,unii-2eoa97b14a,hydroxy p-tolylsulfonyl oxy iodo benzene,hydroxy 4-methylbenzenesulfonato-o phenyliodine,iodosobenzene-i-mono-p-toluenesulfonate,hydroxy phenyl 4-methylbenzenesulfonoperoxoyl iodide PubChem CID: 325434 IUPAC Name: [hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O

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Specifications

PubChem CID	325434
CAS	27126-76-7
Molecular Weight (g/mol)	392.207
MDL Number	MFCD00011547
SMILES	CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O
Synonym	hydroxy tosyloxy iodo benzene,htib,koser's reagent,phenyliodosohydroxy tosylate,koser reagent,unii-2eoa97b14a,hydroxy p-tolylsulfonyl oxy iodo benzene,hydroxy 4-methylbenzenesulfonato-o phenyliodine,iodosobenzene-i-mono-p-toluenesulfonate,hydroxy phenyl 4-methylbenzenesulfonoperoxoyl iodide
IUPAC Name	[hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate
InChI Key	LRIUKPUCKCECPT-UHFFFAOYSA-N
Molecular Formula	C13H13IO4S

6,996

1,3-Bis(4-chlorophenyl)urea 98.0+%, TCI America™

CAS: 1219-99-4 Molecular Formula: C13H10Cl2N2O Molecular Weight (g/mol): 281.14 MDL Number: MFCD00018541 InChI Key: ZNQCSLYENQIUMJ-UHFFFAOYSA-N PubChem CID: 94996 IUPAC Name: 1,3-bis(4-chlorophenyl)urea SMILES: ClC1=CC=C(NC(=O)NC2=CC=C(Cl)C=C2)C=C1

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Specifications

PubChem CID	94996
CAS	1219-99-4
Molecular Weight (g/mol)	281.14
MDL Number	MFCD00018541
SMILES	ClC1=CC=C(NC(=O)NC2=CC=C(Cl)C=C2)C=C1
IUPAC Name	1,3-bis(4-chlorophenyl)urea
InChI Key	ZNQCSLYENQIUMJ-UHFFFAOYSA-N
Molecular Formula	C13H10Cl2N2O

6,997

(4-Methoxyphenyl)urea 98.0+%, TCI America™

CAS: 1566-42-3 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00014789 InChI Key: PGUKYDVWVXRPKK-UHFFFAOYSA-N Synonym: 4-methoxyphenyl urea,urea, 4-methoxyphenyl,p-anisylurea,1-4-methoxyphenyl urea,urea, p-methoxyphenyl,p-methoxyphenyl urea,p-methoxyphenylurea,n-4-methoxyphenyl urea,amino-n-4-methoxyphenyl amide,acmc-20amej PubChem CID: 74066 IUPAC Name: (4-methoxyphenyl)urea SMILES: COC1=CC=C(NC(N)=O)C=C1

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Specifications

PubChem CID	74066
CAS	1566-42-3
Molecular Weight (g/mol)	166.18
MDL Number	MFCD00014789
SMILES	COC1=CC=C(NC(N)=O)C=C1
Synonym	4-methoxyphenyl urea,urea, 4-methoxyphenyl,p-anisylurea,1-4-methoxyphenyl urea,urea, p-methoxyphenyl,p-methoxyphenyl urea,p-methoxyphenylurea,n-4-methoxyphenyl urea,amino-n-4-methoxyphenyl amide,acmc-20amej
IUPAC Name	(4-methoxyphenyl)urea
InChI Key	PGUKYDVWVXRPKK-UHFFFAOYSA-N
Molecular Formula	C8H10N2O2

6,998

1,3-Bis(4-methoxyphenyl)urea 98.0+%, TCI America™

CAS: 1227-44-7 Molecular Formula: C15H16N2O3 Molecular Weight (g/mol): 272.304 MDL Number: MFCD00025783 InChI Key: CPSIMDUNVYMPAH-UHFFFAOYSA-N PubChem CID: 136951 IUPAC Name: 1,3-bis(4-methoxyphenyl)urea SMILES: COC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)OC

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Specifications

PubChem CID	136951
CAS	1227-44-7
Molecular Weight (g/mol)	272.304
MDL Number	MFCD00025783
SMILES	COC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)OC
IUPAC Name	1,3-bis(4-methoxyphenyl)urea
InChI Key	CPSIMDUNVYMPAH-UHFFFAOYSA-N
Molecular Formula	C15H16N2O3

6,999

Phenylurea 98.0+%, TCI America™

CAS: 64-10-8 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.154 MDL Number: MFCD00007944 InChI Key: LUBJCRLGQSPQNN-UHFFFAOYSA-N Synonym: 1-phenylurea,n-phenylurea,urea, phenyl,phenylcarbamide,monophenylurea,stabilizer vh,stabilisator vh,phenyl-urea,urea, n-phenyl,phenyl urea PubChem CID: 6145 IUPAC Name: phenylurea SMILES: C1=CC=C(C=C1)NC(=O)N

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Specifications

PubChem CID	6145
CAS	64-10-8
Molecular Weight (g/mol)	136.154
MDL Number	MFCD00007944
SMILES	C1=CC=C(C=C1)NC(=O)N
Synonym	1-phenylurea,n-phenylurea,urea, phenyl,phenylcarbamide,monophenylurea,stabilizer vh,stabilisator vh,phenyl-urea,urea, n-phenyl,phenyl urea
IUPAC Name	phenylurea
InChI Key	LUBJCRLGQSPQNN-UHFFFAOYSA-N
Molecular Formula	C7H8N2O

7,000

3,5-Diamino-2,4,6-trimethylbenzenesulfonic Acid 93.0+%, TCI America™

CAS: 32432-55-6 Molecular Formula: C9H14N2O3S Molecular Weight (g/mol): 230.282 MDL Number: MFCD00043827 InChI Key: PKKGGWLTUCMSSD-UHFFFAOYSA-N Synonym: diaminomesitylenesulfonic acid,benzenesulfonic acid, 3,5-diamino-2,4,6-trimethyl,2,4-diamino-6-sulfomesitylene,3,5-diamino-2,4,6-trimethylbenzenesulphonic acid,2,4,6-trimethyl-3,5-diaminobenzenesulfonic acid,3,5-diamino-2,4,6-trimethylbenzene sulfonic acid,acmc-209ht1,2-14-00-00453 beilstein handbook reference,2,6-diaminomesitylene-4-sulfonic acid,3,5-diamino-2,4,6-trimethylbenzenesulfonicacid PubChem CID: 94430 IUPAC Name: 3,5-diamino-2,4,6-trimethylbenzenesulfonic acid SMILES: CC1=C(C(=C(C(=C1N)C)S(=O)(=O)O)C)N

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Specifications

PubChem CID	94430
CAS	32432-55-6
Molecular Weight (g/mol)	230.282
MDL Number	MFCD00043827
SMILES	CC1=C(C(=C(C(=C1N)C)S(=O)(=O)O)C)N
Synonym	diaminomesitylenesulfonic acid,benzenesulfonic acid, 3,5-diamino-2,4,6-trimethyl,2,4-diamino-6-sulfomesitylene,3,5-diamino-2,4,6-trimethylbenzenesulphonic acid,2,4,6-trimethyl-3,5-diaminobenzenesulfonic acid,3,5-diamino-2,4,6-trimethylbenzene sulfonic acid,acmc-209ht1,2-14-00-00453 beilstein handbook reference,2,6-diaminomesitylene-4-sulfonic acid,3,5-diamino-2,4,6-trimethylbenzenesulfonicacid
IUPAC Name	3,5-diamino-2,4,6-trimethylbenzenesulfonic acid
InChI Key	PKKGGWLTUCMSSD-UHFFFAOYSA-N
Molecular Formula	C9H14N2O3S

7,001

1,3-Bis(4-fluorophenyl)urea 98.0+%, TCI America™

CAS: 370-22-9 Molecular Formula: C13H10F2N2O Molecular Weight (g/mol): 248.23 MDL Number: MFCD00017925 InChI Key: VEURDHASKSZBOL-UHFFFAOYSA-N Synonym: 1,3-bis 4-fluorophenyl urea,1,3-di 4-fluorophenyl urea,n,n'-bis 4-fluorophenyl urea,n,n'-bis 4-fluorophenyl urea #,urea, n,n'-bis 4-fluorophenyl,n-4-fluorophenyl 4-fluorophenyl amino carboxamide PubChem CID: 302982 IUPAC Name: 1,3-bis(4-fluorophenyl)urea SMILES: FC1=CC=C(NC(=O)NC2=CC=C(F)C=C2)C=C1

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Specifications

PubChem CID	302982
CAS	370-22-9
Molecular Weight (g/mol)	248.23
MDL Number	MFCD00017925
SMILES	FC1=CC=C(NC(=O)NC2=CC=C(F)C=C2)C=C1
Synonym	1,3-bis 4-fluorophenyl urea,1,3-di 4-fluorophenyl urea,n,n'-bis 4-fluorophenyl urea,n,n'-bis 4-fluorophenyl urea #,urea, n,n'-bis 4-fluorophenyl,n-4-fluorophenyl 4-fluorophenyl amino carboxamide
IUPAC Name	1,3-bis(4-fluorophenyl)urea
InChI Key	VEURDHASKSZBOL-UHFFFAOYSA-N
Molecular Formula	C13H10F2N2O

7,002

3-(3,4-Dichlorophenyl)-1,1-dimethylurea 98.0+%, TCI America™

CAS: 330-54-1 Molecular Formula: C9H10Cl2N2O Molecular Weight (g/mol): 233.092 MDL Number: MFCD00018136 InChI Key: XMTQQYYKAHVGBJ-UHFFFAOYSA-N Synonym: diuron,3-3,4-dichlorophenyl-1,1-dimethylurea,dcmu,dynex,duran,dichlorfenidim,herbatox,vonduron,dailon,karmex PubChem CID: 3120 ChEBI: CHEBI:116509 IUPAC Name: 3-(3,4-dichlorophenyl)-1,1-dimethylurea SMILES: CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl

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Specifications

PubChem CID	3120
CAS	330-54-1
Molecular Weight (g/mol)	233.092
ChEBI	CHEBI:116509
MDL Number	MFCD00018136
SMILES	CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl
Synonym	diuron,3-3,4-dichlorophenyl-1,1-dimethylurea,dcmu,dynex,duran,dichlorfenidim,herbatox,vonduron,dailon,karmex
IUPAC Name	3-(3,4-dichlorophenyl)-1,1-dimethylurea
InChI Key	XMTQQYYKAHVGBJ-UHFFFAOYSA-N
Molecular Formula	C9H10Cl2N2O

7,003

Isoproturon 98.0+%, TCI America™

CAS: 34123-59-6 Molecular Formula: C12H18N2O Molecular Weight (g/mol): 206.289 MDL Number: MFCD00078684 InChI Key: PUIYMUZLKQOUOZ-UHFFFAOYSA-N Synonym: isoproturon,graminon,3-4-isopropylphenyl-1,1-dimethylurea,tolkan,arelon,belgran,arelon r,nocilon,ipu stefes,ip-flo PubChem CID: 36679 ChEBI: CHEBI:6049 IUPAC Name: 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea SMILES: CC(C)C1=CC=C(C=C1)NC(=O)N(C)C

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Specifications

PubChem CID	36679
CAS	34123-59-6
Molecular Weight (g/mol)	206.289
ChEBI	CHEBI:6049
MDL Number	MFCD00078684
SMILES	CC(C)C1=CC=C(C=C1)NC(=O)N(C)C
Synonym	isoproturon,graminon,3-4-isopropylphenyl-1,1-dimethylurea,tolkan,arelon,belgran,arelon r,nocilon,ipu stefes,ip-flo
IUPAC Name	1,1-dimethyl-3-(4-propan-2-ylphenyl)urea
InChI Key	PUIYMUZLKQOUOZ-UHFFFAOYSA-N
Molecular Formula	C12H18N2O

7,004

(4-Bromophenyl)urea 98.0+%, TCI America™

CAS: 1967-25-5 Molecular Formula: C7H7BrN2O Molecular Weight (g/mol): 215.05 MDL Number: MFCD00025428 InChI Key: PFQUUCXMPUNRLA-UHFFFAOYSA-N Synonym: 4-bromophenyl urea,1-4-bromophenyl urea,n-4-bromophenyl urea,p-bromophenylurea,unii-n4k2d5wzsi,n4k2d5wzsi,urea, 4-bromophenyl,4-bromophenyl-urea,acmc-209f0h,amino-n-4-bromophenyl amide PubChem CID: 16074 IUPAC Name: (4-bromophenyl)urea SMILES: C1=CC(=CC=C1NC(=O)N)Br

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Specifications

PubChem CID	16074
CAS	1967-25-5
Molecular Weight (g/mol)	215.05
MDL Number	MFCD00025428
SMILES	C1=CC(=CC=C1NC(=O)N)Br
Synonym	4-bromophenyl urea,1-4-bromophenyl urea,n-4-bromophenyl urea,p-bromophenylurea,unii-n4k2d5wzsi,n4k2d5wzsi,urea, 4-bromophenyl,4-bromophenyl-urea,acmc-209f0h,amino-n-4-bromophenyl amide
IUPAC Name	(4-bromophenyl)urea
InChI Key	PFQUUCXMPUNRLA-UHFFFAOYSA-N
Molecular Formula	C7H7BrN2O

7,005

1,4-Diphenylsemicarbazide 98.0+%, TCI America™

CAS: 621-12-5 Molecular Formula: C13H13N3O Molecular Weight (g/mol): 227.267 MDL Number: MFCD00020635 InChI Key: NGZZNUMYERKSQA-UHFFFAOYSA-N PubChem CID: 69299 IUPAC Name: 1-anilino-3-phenylurea SMILES: C1=CC=C(C=C1)NC(=O)NNC2=CC=CC=C2

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Specifications

PubChem CID	69299
CAS	621-12-5
Molecular Weight (g/mol)	227.267
MDL Number	MFCD00020635
SMILES	C1=CC=C(C=C1)NC(=O)NNC2=CC=CC=C2
IUPAC Name	1-anilino-3-phenylurea
InChI Key	NGZZNUMYERKSQA-UHFFFAOYSA-N
Molecular Formula	C13H13N3O

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